SCHEMBL9502677

SCHEMBL9502677

O=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)c(OC2CCCCC2)c1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.72
PTGS1 P23219 4/20 0.72
PTGS2 P35354 4/20 0.72
MAPT P10636 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 2/20 0.72
MEN1 O00255 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
TSHR P16473 2/20 0.72
KMT2A Q03164 2/20 0.72
PTGES O14684 1/20 0.72
CYP2D6 P10635 1/20 0.72
ALOX15 P16050 1/20 0.72
CYP2C19 P33261 1/20 0.72
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
NPC1 O15118 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9501964 0.99 CYP19A1 (0.73) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9502671 0.98 CYP19A1 (0.72) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9502689 0.98 CYP19A1 (0.72) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9502643 0.98 CYP19A1 (0.73) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9502681 0.89 CYP19A1 (0.56) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9501585 0.88 CYP19A1 (0.59) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
Ns-398 SCHEMBL9505672 0.85 CYP19A1 (0.98) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9504767 0.84 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
Ns-398 SCHEMBL214213 0.84 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2
Ns-398 SCHEMBL29368077 0.84 CYP19A1 (1.00) CYP19A1PTGS1PTGS2MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed